Crystallography Open Database

Information card for entry 4002681

Preview

Coordinates	4002681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H56 Bi4 I12 N8 O8
Calculated formula	C24 H56 Bi4 I12 N8 O8
SMILES	[Bi]12([I][Bi]([I]2)(I)(I)I)(I)([I][Bi]([I]1)(I)(I)I)I.[Bi]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C
Title of publication	Solution-Processed BiI3Thin Films for Photovoltaic Applications: Improved Carrier Collection via Solvent Annealing
Authors of publication	Hamdeh, Umar H.; Nelson, Rainie D.; Ryan, Bradley J.; Bhattacharjee, Ujjal; Petrich, Jacob W.; Panthani, Matthew G.
Journal of publication	Chemistry of Materials
Year of publication	2016
Journal volume	28
Journal issue	18
Pages of publication	6567
a	15.1588 ± 0.001 Å
b	30.997 ± 0.002 Å
c	15.7999 ± 0.001 Å
α	90°
β	117.826 ± 0.001°
γ	90°
Cell volume	6565.6 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0715
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
186904 (current)	2016-10-04	cif/ Adding structures of 4002681 via cif-deposit CGI script.	4002681.cif